1-tert-butyl-4-[2-(2-ethoxyphenyl)-2-methylpropyl]-2-methoxybenzene

C23H32O2 — CID 126760949

IUPAC1-tert-butyl-4-[2-(2-ethoxyphenyl)-2-methylpropyl]-2-methoxybenzene
SMILESCCOc1ccccc1C(C)(C)Cc1ccc(C(C)(C)C)c(OC)c1
InChIInChI=1S/C23H32O2/c1-8-25-20-12-10-9-11-19(20)23(5,6)16-17-13-14-18(22(2,3)4)21(15-17)24-7/h9-15H,8,16H2,1-7H3
InChIKeyFGSRVHJWPDXMSO-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.91
Rot. Bonds6

About 1-tert-butyl-4-[2-(2-ethoxyphenyl)-2-methylpropyl]-2-methoxybenzene

1-tert-butyl-4-[2-(2-ethoxyphenyl)-2-methylpropyl]-2-methoxybenzene (PubChem CID 126760949) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(2-ethoxyphenyl)-2-methylpropyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(2-ethoxyphenyl)-2-methylpropyl]-2-methoxybenzene
PubChem CID126760949
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name1-tert-butyl-4-[2-(2-ethoxyphenyl)-2-methylpropyl]-2-methoxybenzene
SMILESCCOc1ccccc1C(C)(C)Cc1ccc(C(C)(C)C)c(OC)c1
InChIInChI=1S/C23H32O2/c1-8-25-20-12-10-9-11-19(20)23(5,6)16-17-13-14-18(22(2,3)4)21(15-17)24-7/h9-15H,8,16H2,1-7H3
InChIKeyFGSRVHJWPDXMSO-UHFFFAOYSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Etofenprox
CID 71245
Carvacryl acetate
CID 80792
Thymyl methyl ether
CID 14104
Thymol acetate
CID 68252
Carvacryl methyl ether
CID 80790
Jwh 133
CID 6918505
Carvacryl ethyl ether
CID 527268
Bisphenol A bis(2-hydroxypropyl) ether
CID 8306
1,1'-(Ethane-1,2-diylbis(oxy))bis(3-methylbenzene)
CID 97354
Halfenprox
CID 10140464
Deoxy-HU210
CID 9799540
L-759,633
CID 5311215

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-(2-ethoxyphenyl)-2-methylpropyl]-2-methoxybenzene?
The IUPAC name of 1-tert-butyl-4-[2-(2-ethoxyphenyl)-2-methylpropyl]-2-methoxybenzene (CID 126760949) is 1-tert-butyl-4-[2-(2-ethoxyphenyl)-2-methylpropyl]-2-methoxybenzene.
What is the SMILES notation for 1-tert-butyl-4-[2-(2-ethoxyphenyl)-2-methylpropyl]-2-methoxybenzene?
The canonical SMILES for 1-tert-butyl-4-[2-(2-ethoxyphenyl)-2-methylpropyl]-2-methoxybenzene is CCOc1ccccc1C(C)(C)Cc1ccc(C(C)(C)C)c(OC)c1.
What is the InChIKey of 1-tert-butyl-4-[2-(2-ethoxyphenyl)-2-methylpropyl]-2-methoxybenzene?
The InChIKey is FGSRVHJWPDXMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-8-25-20-12-10-9-11-19(20)23(5,6)16-17-13-14-18(22(2,3)4)21(15-17)24-7/h9-15H,8,16H2,1-7H3.
What are the key properties of 1-tert-butyl-4-[2-(2-ethoxyphenyl)-2-methylpropyl]-2-methoxybenzene?
1-tert-butyl-4-[2-(2-ethoxyphenyl)-2-methylpropyl]-2-methoxybenzene has a molecular weight of 340.51 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-(2-ethoxyphenyl)-2-methylpropyl]-2-methoxybenzene is sourced from PubChem (CID 126760949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).